SCHEMBL789599

SCHEMBL789599

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(C(=O)O)c4)ccc3nc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.52
PIK3CG P48736 6/20 0.52
KCNH2 Q12809 2/20 0.41
MAP4K4 O95819 4/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
ATR Q13535 1/20 0.37
CSF1R P07333 1/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
FYN P06241 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL796868 0.84 PIK3CG (0.60) PI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL10277282 0.83 PIK3CG (0.48) PI4KAPIK3CGKCNH2PIK3CDPIK3CA
SCHEMBL791172 0.83 PI4KA (0.68) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL806962 0.82 PI4KA (0.62) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807197 0.81 PIK3CG (0.59) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL790922 0.81 PI4KA (0.60) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL10274684 0.81 PIK3CG (0.60) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL790314 0.81 PIK3CG (0.56) PI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL790025 0.81 PIK3CG (0.56) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL789858 0.80 PI4KA (0.59) PI4KAPIK3CGPIK3CDPIK3CAMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed